N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C23H24N4O5S — CID 146441876

IUPACN-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C#N)cc2)c(=O)n2c1C(=O)N(CC1(S(C)(=O)=O)CC1)CC2
InChIInChI=1S/C23H24N4O5S/c1-15-11-18(20(28)25-13-17-5-3-16(12-24)4-6-17)21(29)27-10-9-26(22(30)19(15)27)14-23(7-8-23)33(2,31)32/h3-6,11H,7-10,13-14H2,1-2H3,(H,25,28)
InChIKeyFFSTUWKMZQEJBE-UHFFFAOYSA-N
MW468.54 g/mol
LogP0.99
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 146441876) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID146441876
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(C#N)cc2)c(=O)n2c1C(=O)N(CC1(S(C)(=O)=O)CC1)CC2
InChIInChI=1S/C23H24N4O5S/c1-15-11-18(20(28)25-13-17-5-3-16(12-24)4-6-17)21(29)27-10-9-26(22(30)19(15)27)14-23(7-8-23)33(2,31)32/h3-6,11H,7-10,13-14H2,1-2H3,(H,25,28)
InChIKeyFFSTUWKMZQEJBE-UHFFFAOYSA-N
XLogP0.99
TPSA129.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 153461401
N-[(4-cyanophenyl)methyl]-7-[[1-[(3R)-3,4-dihydroxy-2-methylbutan-2-yl]sulfonylcyclopropyl]methyl]-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazine-3-carboxamide
CID 174274988
2-[[1-[(2R)-4-hydroxybutan-2-yl]sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 158001123
N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 160951589
(1-ethylsulfonylcyclopropyl)methyl 5-[(4-cyanophenyl)methylcarbamoyl]-3-methanimidoyl-1-methyl-6-oxopyridine-2-carboximidate
CID 170101480
N-[(4-chlorophenyl)methyl]-9-formyl-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 150706609
N-[(4-cyanophenyl)methyl]-6-[[1-[1-(1-fluoropropoxy)-2-methylpropan-2-yl]sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 160520113
N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfanylcyclopropyl]methyl]-8-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170975001
N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 150373435
2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 157161218
4-(aminomethyl)benzonitrile;N-[(4-cyanophenyl)methyl]-6-[[1-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[[1-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid;methyl 6-[[1-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride
CID 158262825
[1-[[3-[(4-cyanophenyl)methylcarbamoyl]-1-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]methyl]cyclopropyl] thiohypochlorite
CID 156713976

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 146441876) is N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is Cc1cc(C(=O)NCc2ccc(C#N)cc2)c(=O)n2c1C(=O)N(CC1(S(C)(=O)=O)CC1)CC2.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is FFSTUWKMZQEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-15-11-18(20(28)25-13-17-5-3-16(12-24)4-6-17)21(29)27-10-9-26(22(30)19(15)27)14-23(7-8-23)33(2,31)32/h3-6,11H,7-10,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 146441876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).